butyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: butyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: butyl 4-methyl-2,5-bis(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid butyl ester IUPAC Name: butyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 4-methyl-2,5-bis(4-pyridyl)-1H-pyrrole-3-carboxylic acid butyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=C1C)C2=CC=NC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=C1C)C2=CC=NC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H21N3O2/c1-3-4-13-25-20(24)17-14(2)18(15-5-9-21-10-6-15)23-19(17)16-7-11-22-12-8-16/h5-12,23H,3-4,13H2,1-2H3